1-cyclopropyl-6-fluoranyl-7-[hydroxymethyl(pentyl)amino]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[hydroxymethyl(pentyl)amino]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[hydroxymethyl(pentyl)amino]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[hydroxymethyl(pentyl)amino]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[hydroxymethyl(pentyl)amino]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[amyl(methylol)amino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C19H23FN2O4 MolecularWeight: 362.395323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CO)C1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F

Isomeric SMILES

CCCCCN(CO)C1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F

InChI

InChI=1S/C19H23FN2O4/c1-2-3-4-7-21(11-23)17-9-16-13(8-15(17)20)18(24)14(19(25)26)10-22(16)12-5-6-12/h8-10,12,23H,2-7,11H2,1H3,(H,25,26)